bis[[3-(dibutylamino)phenyl]methyl] carbonate hydrate dihydrochloride

Systemtic Name: bis[[3-(dibutylamino)phenyl]methyl] carbonate hydrate dihydrochloride Openeye Name: bis[[3-(dibutylamino)phenyl]methyl] carbonate hydrate dihydrochloride CAS Name: carbonic acid bis[[3-(dibutylamino)phenyl]methyl] ester hydrate dihydrochloride IUPAC Name: bis[[3-(dibutylamino)phenyl]methyl] carbonate hydrate dihydrochloride Traditional Name: carbonic acid bis[3-(dibutylamino)benzyl] ester hydrate dihydrochloride Formula: C31H52Cl2N2O4 MolecularWeight: 587.66158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=CC(=C1)COC(=O)OCC2=CC(=CC=C2)N(CCCC)CCCC.O.Cl.Cl

Isomeric SMILES

CCCCN(CCCC)C1=CC=CC(=C1)COC(=O)OCC2=CC(=CC=C2)N(CCCC)CCCC.O.Cl.Cl

InChI

InChI=1S/C31H48N2O3.2ClH.H2O/c1-5-9-19-32(20-10-6-2)29-17-13-15-27(23-29)25-35-31(34)36-26-28-16-14-18-30(24-28)33(21-11-7-3)22-12-8-4;;;/h13-18,23-24H,5-12,19-22,25-26H2,1-4H3;2*1H;1H2